1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-isopropylphenyl)thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-p-cumenyl-thiourea Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3S/c1-17(2)19-8-10-20(11-9-19)23-22(26)24-21-12-14-25(15-13-21)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H2,23,24,26)/p+1